SCHEMBL6583573

SCHEMBL6583573

COc1cc(CCCC2OC(=O)NC2=O)ccc1OC(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.54
LYPLA1 O75608 2/20 0.40
LYPLA2 O95372 2/20 0.40
ABHD16A O95870 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 3/20 0.40
TSHR P16473 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CA2 P00918 1/20 0.39
DAO P14920 1/20 0.39
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
SYK P43405 1/20 0.38
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6583021 0.83 PPARG (0.51) PPARGGAATSHRLMNAMAPK1
SCHEMBL7160661 0.81 GLA (0.45) PPARGSMN1; SMN2MAPK1MAPT
SCHEMBL8896521 0.80 TUBB4A (0.51) PPARGLYPLA1LYPLA2ABHD16AGAA
SCHEMBL6584822 0.80 PPARG (0.49) PPARGGAATSHRLMNAMAPK1
SCHEMBL6052119 0.79 PPARG (0.59) PPARGSMN1; SMN2TSHRLMNAMAPK1
SCHEMBL6587646 0.79 PPARG (0.59) PPARGSMN1; SMN2ALDH1A1MAPT
SCHEMBL6583749 0.79 PPARG (0.47) PPARGTSHRTP53ALDH1A1CA2
SCHEMBL8794891 0.78 GLA (0.44) PPARGSMN1; SMN2MAPK1MAPT
SCHEMBL6583581 0.78 SMN1; SMN2 (0.42) PPARGLYPLA1LYPLA2ABHD16ASMN1; SMN2
SCHEMBL8341871 0.78 PTPN1 (0.53) PPARGLYPLA1LYPLA2ABHD16ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0710659-B1 Oxazolidinedione derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-01-28 EP disclosed
WO-1997000249-A1 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-01-03 WO disclosed
EP-0710659-A1 Oxazolidinedione derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-05-08 EP disclosed